Chemical Name - Methyl 3-Bromopropionate
Mol Weight - 167.002
Smiles - COC(CCBr)=O
Mol Weight - 167.002
Smiles - COC(CCBr)=O
| Property Value | |
| Mol Name | Methyl 3-Bromopropionate |
| Molweight | 167.002 |
| Monoisotopic Mass | 165.962941 |
| Clogp | 0.9435 |
| Clogs | -1.4 |
| H Acceptors | 2 |
| Total Surface Area | 99.66 |
| Relative Psa | 0.23119 |
| Polar Surface Area | 26.3 |
| Druglikeness | -16.243 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.85714 |
| Molecular Flexibility | 0.68076 |
| Molecular Complexity | 0.59725 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 3 |
| Sp3 Atoms | 4 |
| Smiles | COC(CCBr)=O |
| InChIKey | InChI=1S/C4H7BrO2/c1-7-4(6)2-3-5/h2-3H2,1H3 |
| InChI | KQEVIFKPZOGBMZ-UHFFFAOYSA-N |
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1 - Methyl 3-Bromopropionate
2 - Methyl 3-Bromopropionate
1 - Methyl 3-Bromopropionate
2 - Methyl 3-Bromopropionate
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